USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -100:sc= 0.288 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0971) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.073) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 76 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.674 8.177 -6.368 1.00 0.00 N ATOM 21 CA VAL A 2 -7.729 7.534 -5.414 1.00 0.00 C ATOM 22 C VAL A 2 -6.633 6.780 -6.173 1.00 0.00 C ATOM 23 O VAL A 2 -6.893 6.098 -7.144 1.00 0.00 O ATOM 24 CB VAL A 2 -8.589 6.564 -4.607 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.715 5.833 -3.590 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.683 7.341 -3.873 1.00 0.00 C ATOM 0 HA VAL A 2 -7.225 8.262 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.047 5.839 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.329 5.141 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.935 5.279 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.256 6.557 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.297 6.649 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.225 8.066 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.308 7.863 -4.598 1.00 0.00 H new ATOM 36 N LYS A 3 -5.410 6.899 -5.738 1.00 0.00 N ATOM 37 CA LYS A 3 -4.294 6.188 -6.427 1.00 0.00 C ATOM 38 C LYS A 3 -3.307 5.642 -5.391 1.00 0.00 C ATOM 39 O LYS A 3 -2.841 6.362 -4.531 1.00 0.00 O ATOM 40 CB LYS A 3 -3.629 7.253 -7.303 1.00 0.00 C ATOM 41 CG LYS A 3 -2.358 6.683 -7.938 1.00 0.00 C ATOM 42 CD LYS A 3 -2.536 6.596 -9.456 1.00 0.00 C ATOM 43 CE LYS A 3 -1.559 5.566 -10.028 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.500 6.371 -10.696 1.00 0.00 N ATOM 0 H LYS A 3 -5.133 7.460 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.639 5.338 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.319 7.581 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.385 8.130 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.504 7.316 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.147 5.695 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.561 6.313 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.359 7.571 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.141 4.939 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.055 4.901 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.208 5.734 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.927 6.953 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.041 6.989 -9.997 1.00 0.00 H new ATOM 58 N ILE A 4 -2.977 4.382 -5.465 1.00 0.00 N ATOM 59 CA ILE A 4 -2.018 3.815 -4.482 1.00 0.00 C ATOM 60 C ILE A 4 -0.622 3.726 -5.107 1.00 0.00 C ATOM 61 O ILE A 4 -0.445 3.204 -6.190 1.00 0.00 O ATOM 62 CB ILE A 4 -2.573 2.438 -4.121 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.828 2.618 -3.264 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.530 1.637 -3.332 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.509 1.266 -3.056 1.00 0.00 C ATOM 0 H ILE A 4 -3.329 3.725 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.914 4.433 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.816 1.896 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.563 3.054 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.515 3.311 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.937 0.658 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.633 1.512 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.278 2.171 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.402 1.399 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.789 0.847 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.822 0.586 -2.552 1.00 0.00 H new ATOM 77 N ARG A 5 0.371 4.242 -4.434 1.00 0.00 N ATOM 78 CA ARG A 5 1.748 4.195 -4.991 1.00 0.00 C ATOM 79 C ARG A 5 2.778 4.167 -3.862 1.00 0.00 C ATOM 80 O ARG A 5 2.436 4.080 -2.702 1.00 0.00 O ATOM 81 CB ARG A 5 1.888 5.469 -5.826 1.00 0.00 C ATOM 82 CG ARG A 5 1.773 6.696 -4.919 1.00 0.00 C ATOM 83 CD ARG A 5 1.392 7.918 -5.759 1.00 0.00 C ATOM 84 NE ARG A 5 2.692 8.533 -6.155 1.00 0.00 N ATOM 85 CZ ARG A 5 2.744 9.450 -7.094 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.659 9.842 -7.714 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.894 9.979 -7.412 1.00 0.00 N ATOM 0 H ARG A 5 0.286 4.693 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 5 1.918 3.301 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.849 5.474 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.115 5.499 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.022 6.523 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.719 6.874 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.809 7.630 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.783 8.617 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 5 3.551 8.238 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.757 9.434 -7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.716 10.555 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.743 9.680 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.944 10.692 -8.140 1.00 0.00 H new ATOM 101 N LEU A 6 4.037 4.248 -4.192 1.00 0.00 N ATOM 102 CA LEU A 6 5.087 4.221 -3.132 1.00 0.00 C ATOM 103 C LEU A 6 5.381 5.639 -2.631 1.00 0.00 C ATOM 104 O LEU A 6 5.664 6.534 -3.403 1.00 0.00 O ATOM 105 CB LEU A 6 6.319 3.629 -3.818 1.00 0.00 C ATOM 106 CG LEU A 6 6.108 2.130 -4.039 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.267 1.913 -5.298 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.465 1.443 -4.208 1.00 0.00 C ATOM 0 H LEU A 6 4.385 4.332 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 6 4.780 3.640 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.492 4.127 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.205 3.796 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 6 5.590 1.706 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.117 0.845 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.300 2.402 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.784 2.337 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.315 0.375 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.983 1.867 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.065 1.597 -3.311 1.00 0.00 H new ATOM 120 N ALA A 7 5.296 5.851 -1.343 1.00 0.00 N ATOM 121 CA ALA A 7 5.547 7.213 -0.785 1.00 0.00 C ATOM 122 C ALA A 7 6.964 7.332 -0.223 1.00 0.00 C ATOM 123 O ALA A 7 7.251 6.854 0.851 1.00 0.00 O ATOM 124 CB ALA A 7 4.536 7.339 0.346 1.00 0.00 C ATOM 0 H ALA A 7 5.063 5.138 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 7 5.450 7.988 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.642 8.314 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.527 7.239 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.714 6.555 1.082 1.00 0.00 H new ATOM 130 N ARG A 8 7.845 7.980 -0.935 1.00 0.00 N ATOM 131 CA ARG A 8 9.243 8.135 -0.441 1.00 0.00 C ATOM 132 C ARG A 8 9.308 9.109 0.740 1.00 0.00 C ATOM 133 O ARG A 8 8.968 10.270 0.619 1.00 0.00 O ATOM 134 CB ARG A 8 10.017 8.707 -1.626 1.00 0.00 C ATOM 135 CG ARG A 8 11.516 8.478 -1.413 1.00 0.00 C ATOM 136 CD ARG A 8 12.189 9.797 -1.026 1.00 0.00 C ATOM 137 NE ARG A 8 13.582 9.678 -1.548 1.00 0.00 N ATOM 138 CZ ARG A 8 14.362 10.729 -1.633 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.944 11.911 -1.254 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.573 10.595 -2.100 1.00 0.00 N ATOM 0 H ARG A 8 7.656 8.410 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 8 9.649 7.187 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.693 8.230 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.812 9.773 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.673 7.735 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.966 8.082 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.672 10.650 -1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.182 9.943 0.054 1.00 0.00 H new ATOM 0 HE ARG A 8 13.932 8.767 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.999 12.024 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.563 12.718 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.907 9.678 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.186 11.408 -2.169 1.00 0.00 H new ATOM 276 N TYR A 17 9.402 3.266 1.029 1.00 0.00 N ATOM 277 CA TYR A 17 8.203 4.032 0.657 1.00 0.00 C ATOM 278 C TYR A 17 6.989 3.279 1.150 1.00 0.00 C ATOM 279 O TYR A 17 7.025 2.072 1.277 1.00 0.00 O ATOM 280 CB TYR A 17 8.141 4.037 -0.866 1.00 0.00 C ATOM 281 CG TYR A 17 9.455 4.409 -1.495 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.540 3.530 -1.437 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.572 5.624 -2.172 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.743 3.868 -2.053 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.776 5.966 -2.787 1.00 0.00 C ATOM 286 CZ TYR A 17 11.866 5.088 -2.730 1.00 0.00 C ATOM 287 OH TYR A 17 13.058 5.425 -3.343 1.00 0.00 O ATOM 0 HA TYR A 17 8.231 5.039 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.840 3.050 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.374 4.739 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.446 2.589 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.730 6.299 -2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.581 3.189 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.868 6.908 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 17 12.971 6.304 -3.767 1.00 0.00 H new ATOM 297 N ARG A 18 5.901 3.942 1.370 1.00 0.00 N ATOM 298 CA ARG A 18 4.697 3.182 1.776 1.00 0.00 C ATOM 299 C ARG A 18 3.820 3.025 0.559 1.00 0.00 C ATOM 300 O ARG A 18 3.884 3.808 -0.368 1.00 0.00 O ATOM 301 CB ARG A 18 3.969 3.989 2.841 1.00 0.00 C ATOM 302 CG ARG A 18 4.755 3.930 4.149 1.00 0.00 C ATOM 303 CD ARG A 18 3.974 3.110 5.179 1.00 0.00 C ATOM 304 NE ARG A 18 4.500 3.548 6.504 1.00 0.00 N ATOM 305 CZ ARG A 18 4.026 3.039 7.617 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.072 2.141 7.595 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.510 3.436 8.763 1.00 0.00 N ATOM 0 H ARG A 18 5.790 4.953 1.290 1.00 0.00 H new ATOM 0 HA ARG A 18 4.955 2.201 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.859 5.024 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.964 3.593 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.733 3.481 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.929 4.938 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.903 3.295 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.125 2.041 5.029 1.00 0.00 H new ATOM 0 HE ARG A 18 5.237 4.252 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.687 1.828 6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.715 1.755 8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.251 4.137 8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.147 3.045 9.633 1.00 0.00 H new ATOM 321 N ILE A 19 2.963 2.071 0.575 1.00 0.00 N ATOM 322 CA ILE A 19 2.038 1.913 -0.558 1.00 0.00 C ATOM 323 C ILE A 19 0.780 2.568 -0.040 1.00 0.00 C ATOM 324 O ILE A 19 -0.117 1.941 0.488 1.00 0.00 O ATOM 325 CB ILE A 19 1.879 0.410 -0.829 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.100 -0.392 -0.346 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.761 0.184 -2.331 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.859 -1.882 -0.585 1.00 0.00 C ATOM 0 H ILE A 19 2.859 1.388 1.325 1.00 0.00 H new ATOM 0 HA ILE A 19 2.349 2.355 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 19 0.991 0.075 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.995 -0.068 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.274 -0.206 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.648 -0.882 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.891 0.719 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.659 0.553 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.724 -2.450 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.974 -2.201 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.706 -2.060 -1.650 1.00 0.00 H new ATOM 340 N VAL A 20 0.797 3.867 -0.080 1.00 0.00 N ATOM 341 CA VAL A 20 -0.289 4.662 0.517 1.00 0.00 C ATOM 342 C VAL A 20 -1.318 5.090 -0.529 1.00 0.00 C ATOM 343 O VAL A 20 -1.096 5.007 -1.719 1.00 0.00 O ATOM 344 CB VAL A 20 0.486 5.844 1.152 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.364 7.130 0.329 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.030 6.097 2.563 1.00 0.00 C ATOM 0 H VAL A 20 1.538 4.418 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.894 4.123 1.246 1.00 0.00 H new ATOM 0 HB VAL A 20 1.540 5.565 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.924 7.928 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.766 6.962 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.685 7.416 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.517 6.929 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.092 6.341 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.115 5.203 3.169 1.00 0.00 H new ATOM 356 N VAL A 21 -2.464 5.503 -0.070 1.00 0.00 N ATOM 357 CA VAL A 21 -3.556 5.893 -0.994 1.00 0.00 C ATOM 358 C VAL A 21 -3.761 7.409 -0.964 1.00 0.00 C ATOM 359 O VAL A 21 -4.193 7.967 0.023 1.00 0.00 O ATOM 360 CB VAL A 21 -4.819 5.176 -0.470 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.606 4.621 -1.652 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.467 4.008 0.459 1.00 0.00 C ATOM 0 H VAL A 21 -2.691 5.587 0.921 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.330 5.617 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.405 5.905 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.499 4.113 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.897 5.439 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.986 3.914 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.383 3.530 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.862 3.282 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.906 4.381 1.316 1.00 0.00 H new ATOM 372 N THR A 22 -3.462 8.076 -2.043 1.00 0.00 N ATOM 373 CA THR A 22 -3.649 9.555 -2.079 1.00 0.00 C ATOM 374 C THR A 22 -4.224 9.979 -3.428 1.00 0.00 C ATOM 375 O THR A 22 -4.493 9.161 -4.286 1.00 0.00 O ATOM 376 CB THR A 22 -2.251 10.160 -1.893 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.294 11.542 -2.215 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.244 9.464 -2.810 1.00 0.00 C ATOM 0 H THR A 22 -3.097 7.663 -2.901 1.00 0.00 H new ATOM 0 HA THR A 22 -4.340 9.890 -1.306 1.00 0.00 H new ATOM 0 HB THR A 22 -1.942 10.024 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.403 11.933 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.257 9.904 -2.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.206 8.402 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.550 9.590 -3.849 1.00 0.00 H new ATOM 543 N TYR A 32 -2.323 11.671 1.709 1.00 0.00 N ATOM 544 CA TYR A 32 -3.074 10.428 1.352 1.00 0.00 C ATOM 545 C TYR A 32 -4.299 10.263 2.249 1.00 0.00 C ATOM 546 O TYR A 32 -4.458 10.947 3.239 1.00 0.00 O ATOM 547 CB TYR A 32 -2.105 9.255 1.563 1.00 0.00 C ATOM 548 CG TYR A 32 -1.418 9.375 2.905 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.032 8.867 4.055 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.166 9.994 2.995 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.392 8.978 5.297 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.473 10.105 4.236 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.141 9.598 5.386 1.00 0.00 C ATOM 554 OH TYR A 32 0.488 9.707 6.609 1.00 0.00 O ATOM 0 HA TYR A 32 -3.428 10.471 0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.648 8.312 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.361 9.241 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.998 8.390 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.307 10.386 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.864 8.585 6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.440 10.582 4.305 1.00 0.00 H new ATOM 0 HH TYR A 32 1.348 10.162 6.495 1.00 0.00 H new ATOM 564 N ILE A 33 -5.160 9.352 1.903 1.00 0.00 N ATOM 565 CA ILE A 33 -6.380 9.122 2.720 1.00 0.00 C ATOM 566 C ILE A 33 -6.060 8.176 3.882 1.00 0.00 C ATOM 567 O ILE A 33 -6.668 8.236 4.933 1.00 0.00 O ATOM 568 CB ILE A 33 -7.371 8.484 1.751 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.692 9.476 0.630 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.656 8.126 2.491 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.017 9.024 -0.666 1.00 0.00 C ATOM 0 H ILE A 33 -5.071 8.752 1.083 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.775 10.036 3.163 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.933 7.579 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.771 9.541 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.346 10.473 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.361 7.671 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.430 7.422 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.096 9.029 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.247 9.732 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.938 8.982 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.384 8.036 -0.942 1.00 0.00 H new ATOM 583 N GLU A 34 -5.101 7.306 3.699 1.00 0.00 N ATOM 584 CA GLU A 34 -4.726 6.353 4.788 1.00 0.00 C ATOM 585 C GLU A 34 -3.565 5.466 4.330 1.00 0.00 C ATOM 586 O GLU A 34 -3.258 5.386 3.158 1.00 0.00 O ATOM 587 CB GLU A 34 -5.978 5.508 5.034 1.00 0.00 C ATOM 588 CG GLU A 34 -6.589 5.881 6.387 1.00 0.00 C ATOM 589 CD GLU A 34 -6.255 4.799 7.416 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.152 4.280 7.364 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.107 4.510 8.239 1.00 0.00 O ATOM 0 H GLU A 34 -4.559 7.214 2.840 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.402 6.868 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.703 5.674 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.723 4.448 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.202 6.845 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.670 5.986 6.293 1.00 0.00 H new ATOM 598 N LYS A 35 -2.917 4.796 5.245 1.00 0.00 N ATOM 599 CA LYS A 35 -1.780 3.915 4.855 1.00 0.00 C ATOM 600 C LYS A 35 -2.245 2.458 4.780 1.00 0.00 C ATOM 601 O LYS A 35 -2.599 1.861 5.778 1.00 0.00 O ATOM 602 CB LYS A 35 -0.745 4.085 5.969 1.00 0.00 C ATOM 603 CG LYS A 35 -0.178 5.505 5.928 1.00 0.00 C ATOM 604 CD LYS A 35 -0.432 6.199 7.269 1.00 0.00 C ATOM 605 CE LYS A 35 0.876 6.794 7.796 1.00 0.00 C ATOM 606 NZ LYS A 35 1.491 5.709 8.612 1.00 0.00 N ATOM 0 H LYS A 35 -3.126 4.821 6.243 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.374 4.174 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.204 3.894 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.058 3.358 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.892 5.474 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.644 6.070 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.178 6.985 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.835 5.486 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.532 7.093 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.691 7.684 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.393 6.041 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.847 5.450 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.662 4.877 8.011 1.00 0.00 H new ATOM 620 N ILE A 36 -2.248 1.877 3.608 1.00 0.00 N ATOM 621 CA ILE A 36 -2.692 0.452 3.498 1.00 0.00 C ATOM 622 C ILE A 36 -1.510 -0.457 3.221 1.00 0.00 C ATOM 623 O ILE A 36 -1.470 -1.586 3.675 1.00 0.00 O ATOM 624 CB ILE A 36 -3.704 0.403 2.352 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.051 0.833 1.030 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.867 1.338 2.675 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.358 -0.366 0.383 1.00 0.00 C ATOM 0 H ILE A 36 -1.967 2.319 2.733 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.141 0.104 4.428 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.064 -0.620 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.806 1.237 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.328 1.628 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.593 1.309 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.345 1.018 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.494 2.355 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.896 -0.057 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.591 -0.750 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.092 -1.147 0.186 1.00 0.00 H new ATOM 639 N GLY A 37 -0.547 0.008 2.489 1.00 0.00 N ATOM 640 CA GLY A 37 0.616 -0.856 2.205 1.00 0.00 C ATOM 641 C GLY A 37 1.899 -0.190 2.682 1.00 0.00 C ATOM 642 O GLY A 37 1.951 1.001 2.919 1.00 0.00 O ATOM 0 H GLY A 37 -0.515 0.941 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.492 -1.819 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.677 -1.054 1.135 1.00 0.00 H new ATOM 646 N TYR A 38 2.944 -0.954 2.784 1.00 0.00 N ATOM 647 CA TYR A 38 4.263 -0.392 3.199 1.00 0.00 C ATOM 648 C TYR A 38 5.355 -1.042 2.350 1.00 0.00 C ATOM 649 O TYR A 38 5.280 -2.215 2.039 1.00 0.00 O ATOM 650 CB TYR A 38 4.429 -0.767 4.674 1.00 0.00 C ATOM 651 CG TYR A 38 5.813 -0.374 5.147 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.366 0.859 4.770 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.545 -1.243 5.966 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.646 1.218 5.211 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.826 -0.883 6.406 1.00 0.00 C ATOM 656 CZ TYR A 38 8.376 0.348 6.029 1.00 0.00 C ATOM 657 OH TYR A 38 9.637 0.701 6.462 1.00 0.00 O ATOM 0 H TYR A 38 2.945 -1.957 2.596 1.00 0.00 H new ATOM 0 HA TYR A 38 4.326 0.688 3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.672 -0.263 5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.280 -1.839 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.804 1.532 4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.121 -2.192 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.070 2.167 4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.389 -1.555 7.036 1.00 0.00 H new ATOM 0 HH TYR A 38 10.310 0.256 5.906 1.00 0.00 H new ATOM 667 N TYR A 39 6.373 -0.313 1.969 1.00 0.00 N ATOM 668 CA TYR A 39 7.440 -0.949 1.144 1.00 0.00 C ATOM 669 C TYR A 39 8.828 -0.535 1.660 1.00 0.00 C ATOM 670 O TYR A 39 9.084 0.629 1.898 1.00 0.00 O ATOM 671 CB TYR A 39 7.238 -0.437 -0.285 1.00 0.00 C ATOM 672 CG TYR A 39 8.302 -1.044 -1.174 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.609 -0.546 -1.136 1.00 0.00 C ATOM 674 CD2 TYR A 39 7.984 -2.111 -2.023 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.600 -1.115 -1.946 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.977 -2.678 -2.835 1.00 0.00 C ATOM 677 CZ TYR A 39 10.284 -2.179 -2.796 1.00 0.00 C ATOM 678 OH TYR A 39 11.262 -2.739 -3.593 1.00 0.00 O ATOM 0 H TYR A 39 6.510 0.674 2.188 1.00 0.00 H new ATOM 0 HA TYR A 39 7.382 -2.036 1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.245 -0.706 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.301 0.651 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.854 0.278 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.976 -2.497 -2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.609 -0.731 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.733 -3.500 -3.491 1.00 0.00 H new ATOM 0 HH TYR A 39 10.875 -3.468 -4.122 1.00 0.00 H new ATOM 688 N ASP A 40 9.731 -1.467 1.827 1.00 0.00 N ATOM 689 CA ASP A 40 11.099 -1.104 2.317 1.00 0.00 C ATOM 690 C ASP A 40 12.167 -1.930 1.581 1.00 0.00 C ATOM 691 O ASP A 40 12.347 -3.093 1.872 1.00 0.00 O ATOM 692 CB ASP A 40 11.090 -1.448 3.808 1.00 0.00 C ATOM 693 CG ASP A 40 12.373 -0.929 4.460 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.438 -1.350 4.043 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.267 -0.117 5.366 1.00 0.00 O ATOM 0 H ASP A 40 9.583 -2.460 1.647 1.00 0.00 H new ATOM 0 HA ASP A 40 11.334 -0.054 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.219 -1.003 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.012 -2.527 3.943 1.00 0.00 H new ATOM 838 N LEU A 49 7.789 -6.332 1.979 1.00 0.00 N ATOM 839 CA LEU A 49 6.443 -5.825 1.579 1.00 0.00 C ATOM 840 C LEU A 49 5.411 -6.131 2.664 1.00 0.00 C ATOM 841 O LEU A 49 5.061 -7.270 2.900 1.00 0.00 O ATOM 842 CB LEU A 49 6.093 -6.576 0.293 1.00 0.00 C ATOM 843 CG LEU A 49 4.926 -5.884 -0.435 1.00 0.00 C ATOM 844 CD1 LEU A 49 3.632 -6.062 0.362 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.217 -4.388 -0.609 1.00 0.00 C ATOM 0 HA LEU A 49 6.446 -4.745 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.964 -6.616 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.823 -7.606 0.528 1.00 0.00 H new ATOM 0 HG LEU A 49 4.812 -6.341 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.812 -5.569 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.411 -7.124 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.750 -5.619 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.383 -3.913 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.348 -3.927 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.127 -4.260 -1.195 1.00 0.00 H new ATOM 857 N LYS A 50 4.908 -5.120 3.310 1.00 0.00 N ATOM 858 CA LYS A 50 3.880 -5.349 4.364 1.00 0.00 C ATOM 859 C LYS A 50 2.604 -4.596 3.990 1.00 0.00 C ATOM 860 O LYS A 50 2.535 -3.388 4.108 1.00 0.00 O ATOM 861 CB LYS A 50 4.489 -4.778 5.643 1.00 0.00 C ATOM 862 CG LYS A 50 3.856 -5.460 6.857 1.00 0.00 C ATOM 863 CD LYS A 50 4.912 -6.293 7.586 1.00 0.00 C ATOM 864 CE LYS A 50 5.357 -5.559 8.853 1.00 0.00 C ATOM 865 NZ LYS A 50 6.270 -4.483 8.374 1.00 0.00 N ATOM 0 H LYS A 50 5.163 -4.144 3.155 1.00 0.00 H new ATOM 0 HA LYS A 50 3.619 -6.401 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.568 -4.934 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.322 -3.702 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.440 -4.712 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.031 -6.097 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.505 -7.271 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.768 -6.466 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.504 -5.143 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.868 -6.233 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.696 -4.000 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.021 -4.900 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.731 -3.796 7.809 1.00 0.00 H new ATOM 879 N VAL A 51 1.595 -5.285 3.521 1.00 0.00 N ATOM 880 CA VAL A 51 0.349 -4.572 3.129 1.00 0.00 C ATOM 881 C VAL A 51 -0.880 -5.214 3.761 1.00 0.00 C ATOM 882 O VAL A 51 -1.041 -6.418 3.768 1.00 0.00 O ATOM 883 CB VAL A 51 0.289 -4.681 1.587 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.163 -4.723 1.074 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.961 -3.467 0.968 1.00 0.00 C ATOM 0 H VAL A 51 1.582 -6.297 3.395 1.00 0.00 H new ATOM 0 HA VAL A 51 0.358 -3.536 3.469 1.00 0.00 H new ATOM 0 HB VAL A 51 0.795 -5.605 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.163 -4.800 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.674 -5.587 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.681 -3.812 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.919 -3.543 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.445 -2.562 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.002 -3.424 1.289 1.00 0.00 H new ATOM 895 N ASP A 52 -1.782 -4.400 4.210 1.00 0.00 N ATOM 896 CA ASP A 52 -3.046 -4.937 4.749 1.00 0.00 C ATOM 897 C ASP A 52 -3.952 -5.134 3.542 1.00 0.00 C ATOM 898 O ASP A 52 -4.877 -4.377 3.330 1.00 0.00 O ATOM 899 CB ASP A 52 -3.589 -3.851 5.678 1.00 0.00 C ATOM 900 CG ASP A 52 -4.506 -4.482 6.726 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.386 -5.234 6.341 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.314 -4.201 7.899 1.00 0.00 O ATOM 0 H ASP A 52 -1.697 -3.384 4.226 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.953 -5.875 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.765 -3.332 6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.138 -3.106 5.101 1.00 0.00 H new ATOM 907 N VAL A 53 -3.637 -6.114 2.718 1.00 0.00 N ATOM 908 CA VAL A 53 -4.416 -6.377 1.454 1.00 0.00 C ATOM 909 C VAL A 53 -5.900 -6.012 1.613 1.00 0.00 C ATOM 910 O VAL A 53 -6.513 -5.525 0.689 1.00 0.00 O ATOM 911 CB VAL A 53 -4.200 -7.878 1.116 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.114 -8.727 2.387 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.341 -8.408 0.234 1.00 0.00 C ATOM 0 H VAL A 53 -2.858 -6.755 2.871 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.065 -5.750 0.634 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.257 -7.954 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.963 -9.772 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.278 -8.385 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.040 -8.629 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.169 -9.461 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.289 -8.300 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.376 -7.840 -0.696 1.00 0.00 H new ATOM 923 N GLU A 54 -6.475 -6.206 2.766 1.00 0.00 N ATOM 924 CA GLU A 54 -7.902 -5.820 2.928 1.00 0.00 C ATOM 925 C GLU A 54 -8.041 -4.323 2.662 1.00 0.00 C ATOM 926 O GLU A 54 -8.851 -3.894 1.865 1.00 0.00 O ATOM 927 CB GLU A 54 -8.263 -6.162 4.375 1.00 0.00 C ATOM 928 CG GLU A 54 -9.552 -6.986 4.397 1.00 0.00 C ATOM 929 CD GLU A 54 -10.233 -6.832 5.758 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.912 -7.601 6.649 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.065 -5.948 5.886 1.00 0.00 O ATOM 0 H GLU A 54 -6.028 -6.608 3.590 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.563 -6.340 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.452 -6.722 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.393 -5.248 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.222 -6.654 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.328 -8.036 4.207 1.00 0.00 H new ATOM 938 N ARG A 55 -7.234 -3.527 3.304 1.00 0.00 N ATOM 939 CA ARG A 55 -7.292 -2.062 3.067 1.00 0.00 C ATOM 940 C ARG A 55 -6.736 -1.762 1.678 1.00 0.00 C ATOM 941 O ARG A 55 -7.314 -1.028 0.910 1.00 0.00 O ATOM 942 CB ARG A 55 -6.402 -1.438 4.141 1.00 0.00 C ATOM 943 CG ARG A 55 -7.044 -1.622 5.516 1.00 0.00 C ATOM 944 CD ARG A 55 -8.448 -1.000 5.532 1.00 0.00 C ATOM 945 NE ARG A 55 -8.271 0.382 4.993 1.00 0.00 N ATOM 946 CZ ARG A 55 -7.685 1.313 5.708 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.270 1.066 6.926 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.520 2.504 5.201 1.00 0.00 N ATOM 0 H ARG A 55 -6.536 -3.830 3.983 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.308 -1.669 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.416 -1.903 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.258 -0.377 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.105 -2.683 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.423 -1.156 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.141 -1.576 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.858 -0.979 6.542 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.610 0.605 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.401 0.139 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.816 1.801 7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.846 2.705 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.065 3.234 5.750 1.00 0.00 H new ATOM 962 N ALA A 56 -5.627 -2.353 1.337 1.00 0.00 N ATOM 963 CA ALA A 56 -5.054 -2.125 -0.006 1.00 0.00 C ATOM 964 C ALA A 56 -6.083 -2.581 -1.044 1.00 0.00 C ATOM 965 O ALA A 56 -6.083 -2.137 -2.177 1.00 0.00 O ATOM 966 CB ALA A 56 -3.778 -2.977 -0.035 1.00 0.00 C ATOM 0 H ALA A 56 -5.095 -2.985 1.936 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.818 -1.084 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.288 -2.865 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.102 -2.647 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.036 -4.024 0.122 1.00 0.00 H new ATOM 972 N ARG A 57 -6.989 -3.450 -0.650 1.00 0.00 N ATOM 973 CA ARG A 57 -8.029 -3.909 -1.599 1.00 0.00 C ATOM 974 C ARG A 57 -9.230 -2.956 -1.557 1.00 0.00 C ATOM 975 O ARG A 57 -9.944 -2.802 -2.527 1.00 0.00 O ATOM 976 CB ARG A 57 -8.429 -5.310 -1.133 1.00 0.00 C ATOM 977 CG ARG A 57 -9.512 -5.868 -2.059 1.00 0.00 C ATOM 978 CD ARG A 57 -10.287 -6.970 -1.332 1.00 0.00 C ATOM 979 NE ARG A 57 -10.127 -8.182 -2.187 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.379 -9.380 -1.710 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.771 -9.543 -0.470 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.236 -10.423 -2.482 1.00 0.00 N ATOM 0 H ARG A 57 -7.044 -3.853 0.285 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.667 -3.925 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.560 -5.967 -1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.797 -5.272 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.191 -5.071 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.059 -6.266 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.889 -7.138 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.338 -6.704 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.818 -8.079 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.884 -8.733 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.963 -10.480 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.931 -10.304 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.430 -11.356 -2.119 1.00 0.00 H new ATOM 996 N TYR A 58 -9.433 -2.291 -0.446 1.00 0.00 N ATOM 997 CA TYR A 58 -10.557 -1.317 -0.334 1.00 0.00 C ATOM 998 C TYR A 58 -10.348 -0.268 -1.400 1.00 0.00 C ATOM 999 O TYR A 58 -11.237 0.132 -2.127 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.373 -0.692 1.056 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.080 0.651 1.158 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.329 0.834 0.558 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.477 1.712 1.854 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.981 2.069 0.653 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.129 2.947 1.948 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.381 3.125 1.348 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.023 4.344 1.441 1.00 0.00 O ATOM 0 H TYR A 58 -8.862 -2.384 0.394 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.547 -1.756 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.763 -1.369 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.310 -0.562 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.792 0.020 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.511 1.575 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.947 2.207 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.666 3.763 2.484 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.470 4.966 1.958 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.144 0.176 -1.450 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.749 1.217 -2.409 1.00 0.00 C ATOM 1019 C TRP A 59 -8.927 0.698 -3.821 1.00 0.00 C ATOM 1020 O TRP A 59 -9.646 1.268 -4.616 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.303 1.509 -2.025 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.395 2.145 -0.683 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.884 1.678 0.482 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.134 3.337 -0.359 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.245 2.554 1.498 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.018 3.594 1.021 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.874 4.217 -1.148 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.629 4.703 1.605 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.495 5.331 -0.572 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.373 5.577 0.802 1.00 0.00 C ATOM 0 H TRP A 59 -8.390 -0.150 -0.845 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.346 2.129 -2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.709 0.596 -1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.827 2.173 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.297 0.779 0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.973 2.443 2.475 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.968 4.038 -2.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.530 4.886 2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.071 6.004 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.852 6.439 1.241 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.335 -0.412 -4.128 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.544 -0.987 -5.482 1.00 0.00 C ATOM 1043 C LEU A 60 -10.054 -1.175 -5.707 1.00 0.00 C ATOM 1044 O LEU A 60 -10.518 -1.267 -6.826 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.823 -2.336 -5.467 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.416 -2.162 -6.036 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.581 -3.403 -5.719 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.498 -1.982 -7.554 1.00 0.00 C ATOM 0 H LEU A 60 -7.721 -0.944 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.163 -0.351 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.771 -2.722 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.379 -3.065 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.950 -1.284 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.577 -3.279 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.522 -3.536 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.048 -4.280 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.494 -1.858 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.964 -2.861 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.094 -1.099 -7.784 1.00 0.00 H new ATOM 1060 N SER A 61 -10.824 -1.226 -4.639 1.00 0.00 N ATOM 1061 CA SER A 61 -12.297 -1.399 -4.782 1.00 0.00 C ATOM 1062 C SER A 61 -12.967 -0.071 -5.154 1.00 0.00 C ATOM 1063 O SER A 61 -14.038 -0.051 -5.729 1.00 0.00 O ATOM 1064 CB SER A 61 -12.781 -1.869 -3.410 1.00 0.00 C ATOM 1065 OG SER A 61 -13.490 -3.092 -3.556 1.00 0.00 O ATOM 0 H SER A 61 -10.489 -1.155 -3.678 1.00 0.00 H new ATOM 0 HA SER A 61 -12.544 -2.109 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.933 -2.005 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.425 -1.113 -2.960 1.00 0.00 H new ATOM 0 HG SER A 61 -13.800 -3.397 -2.678 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.355 1.040 -4.833 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.971 2.345 -5.177 1.00 0.00 C ATOM 1073 C VAL A 62 -12.335 2.890 -6.453 1.00 0.00 C ATOM 1074 O VAL A 62 -12.184 4.081 -6.635 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.693 3.269 -3.982 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.180 2.613 -2.688 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.193 3.551 -3.863 1.00 0.00 C ATOM 0 H VAL A 62 -11.459 1.095 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.042 2.261 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.225 4.206 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.979 3.275 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.252 2.427 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.657 1.668 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.013 4.207 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.657 2.613 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.840 4.034 -4.774 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.967 2.010 -7.336 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.342 2.443 -8.616 1.00 0.00 C ATOM 1089 C GLY A 63 -9.958 3.039 -8.346 1.00 0.00 C ATOM 1090 O GLY A 63 -9.475 3.865 -9.094 1.00 0.00 O ATOM 0 H GLY A 63 -12.072 1.001 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.256 1.594 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.975 3.181 -9.108 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.310 2.628 -7.289 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.961 3.179 -6.992 1.00 0.00 C ATOM 1096 C ALA A 64 -6.959 2.702 -8.044 1.00 0.00 C ATOM 1097 O ALA A 64 -6.882 1.529 -8.352 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.591 2.630 -5.616 1.00 0.00 C ATOM 0 H ALA A 64 -9.656 1.938 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.951 4.269 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.605 2.996 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.326 2.961 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.577 1.541 -5.651 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.191 3.596 -8.599 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.202 3.176 -9.629 1.00 0.00 C ATOM 1106 C GLN A 65 -3.809 3.013 -9.001 1.00 0.00 C ATOM 1107 O GLN A 65 -3.194 3.984 -8.607 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.195 4.304 -10.660 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.702 3.763 -11.998 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.138 4.610 -13.140 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.873 5.075 -13.988 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.852 4.829 -13.200 1.00 0.00 N ATOM 0 H GLN A 65 -6.205 4.593 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.461 2.216 -10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.827 5.125 -10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.187 4.703 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.400 2.723 -12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.792 3.783 -12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.234 4.439 -12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.465 5.390 -13.959 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.352 1.787 -8.930 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.022 1.511 -8.356 1.00 0.00 C ATOM 1123 C PRO A 66 -0.951 1.619 -9.444 1.00 0.00 C ATOM 1124 O PRO A 66 -1.031 0.971 -10.468 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.145 0.074 -7.869 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.218 -0.554 -8.713 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.017 0.552 -9.361 1.00 0.00 C ATOM 0 HA PRO A 66 -1.736 2.206 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.200 -0.458 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.409 0.041 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.776 -1.198 -9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.865 -1.181 -8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.016 0.459 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.059 0.529 -9.040 1.00 0.00 H new ATOM 1135 N THR A 67 0.054 2.425 -9.235 1.00 0.00 N ATOM 1136 CA THR A 67 1.121 2.555 -10.270 1.00 0.00 C ATOM 1137 C THR A 67 1.678 1.170 -10.617 1.00 0.00 C ATOM 1138 O THR A 67 1.425 0.203 -9.929 1.00 0.00 O ATOM 1139 CB THR A 67 2.198 3.445 -9.637 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.332 3.492 -10.491 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.606 2.886 -8.273 1.00 0.00 C ATOM 0 H THR A 67 0.183 2.995 -8.399 1.00 0.00 H new ATOM 0 HA THR A 67 0.751 2.989 -11.199 1.00 0.00 H new ATOM 0 HB THR A 67 1.798 4.450 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.021 4.062 -10.089 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.371 3.525 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.736 2.856 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.002 1.878 -8.397 1.00 0.00 H new ATOM 1149 N ASP A 68 2.417 1.060 -11.686 1.00 0.00 N ATOM 1150 CA ASP A 68 2.966 -0.271 -12.081 1.00 0.00 C ATOM 1151 C ASP A 68 3.695 -0.933 -10.906 1.00 0.00 C ATOM 1152 O ASP A 68 3.688 -2.138 -10.757 1.00 0.00 O ATOM 1153 CB ASP A 68 3.942 0.025 -13.220 1.00 0.00 C ATOM 1154 CG ASP A 68 3.531 -0.765 -14.463 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.352 -0.771 -14.772 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.403 -1.351 -15.084 1.00 0.00 O ATOM 0 H ASP A 68 2.665 1.833 -12.304 1.00 0.00 H new ATOM 0 HA ASP A 68 2.178 -0.961 -12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.947 1.093 -13.440 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.956 -0.245 -12.924 1.00 0.00 H new ATOM 1161 N THR A 69 4.325 -0.155 -10.076 1.00 0.00 N ATOM 1162 CA THR A 69 5.061 -0.732 -8.914 1.00 0.00 C ATOM 1163 C THR A 69 4.093 -1.160 -7.811 1.00 0.00 C ATOM 1164 O THR A 69 4.101 -2.289 -7.365 1.00 0.00 O ATOM 1165 CB THR A 69 5.923 0.408 -8.410 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.388 1.180 -9.508 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.114 -0.137 -7.618 1.00 0.00 C ATOM 0 H THR A 69 4.364 0.862 -10.150 1.00 0.00 H new ATOM 0 HA THR A 69 5.634 -1.615 -9.197 1.00 0.00 H new ATOM 0 HB THR A 69 5.324 1.039 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.943 1.917 -9.178 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.725 0.693 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.752 -0.713 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.715 -0.780 -8.261 1.00 0.00 H new ATOM 1175 N ALA A 70 3.263 -0.258 -7.366 1.00 0.00 N ATOM 1176 CA ALA A 70 2.301 -0.596 -6.289 1.00 0.00 C ATOM 1177 C ALA A 70 1.292 -1.597 -6.817 1.00 0.00 C ATOM 1178 O ALA A 70 0.700 -2.353 -6.071 1.00 0.00 O ATOM 1179 CB ALA A 70 1.619 0.723 -5.931 1.00 0.00 C ATOM 0 H ALA A 70 3.212 0.702 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 70 2.781 -1.043 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.891 0.553 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.367 1.438 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.112 1.121 -6.810 1.00 0.00 H new ATOM 1185 N ARG A 71 1.109 -1.632 -8.106 1.00 0.00 N ATOM 1186 CA ARG A 71 0.165 -2.605 -8.669 1.00 0.00 C ATOM 1187 C ARG A 71 0.799 -3.976 -8.526 1.00 0.00 C ATOM 1188 O ARG A 71 0.150 -4.950 -8.202 1.00 0.00 O ATOM 1189 CB ARG A 71 -0.004 -2.223 -10.141 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.065 -3.121 -10.783 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.787 -3.248 -12.282 1.00 0.00 C ATOM 1192 NE ARG A 71 0.271 -4.295 -12.390 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.981 -4.424 -13.486 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.787 -3.633 -14.512 1.00 0.00 N ATOM 1195 NH2 ARG A 71 1.897 -5.350 -13.556 1.00 0.00 N ATOM 0 H ARG A 71 1.575 -1.028 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.806 -2.614 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.299 -1.177 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.945 -2.330 -10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.054 -4.106 -10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.058 -2.702 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.686 -3.537 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.450 -2.301 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 71 0.444 -4.918 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.076 -2.904 -14.466 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.347 -3.747 -15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.058 -5.969 -12.761 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.452 -5.455 -14.405 1.00 0.00 H new ATOM 1209 N ARG A 72 2.086 -4.047 -8.732 1.00 0.00 N ATOM 1210 CA ARG A 72 2.780 -5.341 -8.581 1.00 0.00 C ATOM 1211 C ARG A 72 2.805 -5.720 -7.108 1.00 0.00 C ATOM 1212 O ARG A 72 2.561 -6.851 -6.736 1.00 0.00 O ATOM 1213 CB ARG A 72 4.195 -5.092 -9.094 1.00 0.00 C ATOM 1214 CG ARG A 72 4.550 -6.150 -10.133 1.00 0.00 C ATOM 1215 CD ARG A 72 6.073 -6.289 -10.209 1.00 0.00 C ATOM 1216 NE ARG A 72 6.325 -7.259 -11.316 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.136 -8.545 -11.139 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.695 -9.010 -9.997 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.389 -9.372 -12.116 1.00 0.00 N ATOM 0 H ARG A 72 2.680 -3.261 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 72 2.294 -6.152 -9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.265 -4.097 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.905 -5.126 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.098 -7.105 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.149 -5.869 -11.107 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.546 -5.328 -10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.482 -6.653 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 72 6.648 -6.917 -12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.493 -8.369 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.553 -10.013 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.731 -9.017 -13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.245 -10.373 -11.987 1.00 0.00 H new ATOM 1233 N LEU A 73 3.091 -4.771 -6.263 1.00 0.00 N ATOM 1234 CA LEU A 73 3.125 -5.053 -4.814 1.00 0.00 C ATOM 1235 C LEU A 73 1.731 -5.422 -4.338 1.00 0.00 C ATOM 1236 O LEU A 73 1.568 -6.108 -3.349 1.00 0.00 O ATOM 1237 CB LEU A 73 3.615 -3.761 -4.168 1.00 0.00 C ATOM 1238 CG LEU A 73 5.005 -3.444 -4.707 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.432 -2.048 -4.250 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.995 -4.482 -4.183 1.00 0.00 C ATOM 0 H LEU A 73 3.303 -3.807 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 73 3.776 -5.888 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.928 -2.944 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.645 -3.868 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 73 4.988 -3.471 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.426 -1.826 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.723 -1.310 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.451 -2.012 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.991 -4.260 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.010 -4.453 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.691 -5.475 -4.516 1.00 0.00 H new ATOM 1252 N LEU A 74 0.719 -5.012 -5.052 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.648 -5.397 -4.645 1.00 0.00 C ATOM 1254 C LEU A 74 -0.793 -6.888 -4.923 1.00 0.00 C ATOM 1255 O LEU A 74 -1.475 -7.606 -4.220 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.591 -4.573 -5.515 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.727 -3.171 -4.925 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.158 -2.201 -6.022 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.780 -3.185 -3.813 1.00 0.00 C ATOM 0 H LEU A 74 0.784 -4.434 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.865 -5.215 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.207 -4.516 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.568 -5.054 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.769 -2.854 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.256 -1.199 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.410 -2.192 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.117 -2.518 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.877 -2.185 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.739 -3.501 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.474 -3.880 -3.031 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.098 -7.366 -5.922 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.137 -8.818 -6.220 1.00 0.00 C ATOM 1273 C ARG A 75 0.657 -9.511 -5.131 1.00 0.00 C ATOM 1274 O ARG A 75 0.356 -10.609 -4.708 1.00 0.00 O ATOM 1275 CB ARG A 75 0.579 -9.006 -7.562 1.00 0.00 C ATOM 1276 CG ARG A 75 0.079 -7.990 -8.580 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.398 -8.710 -9.849 1.00 0.00 C ATOM 1278 NE ARG A 75 0.717 -9.628 -10.233 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.612 -10.412 -11.281 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -0.477 -10.419 -12.010 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.604 -11.198 -11.601 1.00 0.00 N ATOM 0 H ARG A 75 0.493 -6.810 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.151 -9.216 -6.264 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.655 -8.894 -7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.408 -10.016 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.738 -7.407 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.876 -7.289 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.317 -9.266 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.612 -7.998 -10.646 1.00 0.00 H new ATOM 0 HE ARG A 75 1.570 -9.646 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.258 -9.810 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.544 -11.034 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.455 -11.201 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.528 -11.809 -12.414 1.00 0.00 H new ATOM 1295 N GLN A 76 1.687 -8.849 -4.683 1.00 0.00 N ATOM 1296 CA GLN A 76 2.543 -9.414 -3.628 1.00 0.00 C ATOM 1297 C GLN A 76 1.867 -9.273 -2.278 1.00 0.00 C ATOM 1298 O GLN A 76 2.063 -10.063 -1.376 1.00 0.00 O ATOM 1299 CB GLN A 76 3.808 -8.576 -3.698 1.00 0.00 C ATOM 1300 CG GLN A 76 4.980 -9.352 -3.102 1.00 0.00 C ATOM 1301 CD GLN A 76 5.505 -10.352 -4.133 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.697 -11.512 -3.828 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.748 -9.949 -5.351 1.00 0.00 N ATOM 0 H GLN A 76 1.968 -7.926 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 76 2.744 -10.477 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.024 -8.313 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.666 -7.641 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.774 -8.665 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.663 -9.876 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.587 -8.975 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.099 -10.608 -6.046 1.00 0.00 H new ATOM 1312 N ALA A 77 1.063 -8.273 -2.148 1.00 0.00 N ATOM 1313 CA ALA A 77 0.340 -8.055 -0.874 1.00 0.00 C ATOM 1314 C ALA A 77 -0.781 -9.091 -0.717 1.00 0.00 C ATOM 1315 O ALA A 77 -1.451 -9.140 0.294 1.00 0.00 O ATOM 1316 CB ALA A 77 -0.246 -6.649 -0.987 1.00 0.00 C ATOM 0 H ALA A 77 0.870 -7.586 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 77 0.993 -8.157 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.799 -6.411 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.561 -5.928 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.918 -6.603 -1.844 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.996 -9.913 -1.713 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.079 -10.931 -1.616 1.00 0.00 C ATOM 1324 C GLY A 78 -3.396 -10.320 -2.102 1.00 0.00 C ATOM 1325 O GLY A 78 -4.466 -10.803 -1.787 1.00 0.00 O ATOM 0 H GLY A 78 -0.468 -9.921 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.827 -11.805 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.182 -11.272 -0.586 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.332 -9.260 -2.866 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.584 -8.627 -3.361 1.00 0.00 C ATOM 1331 C VAL A 79 -5.100 -9.356 -4.606 1.00 0.00 C ATOM 1332 O VAL A 79 -6.194 -9.887 -4.612 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.217 -7.185 -3.698 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.488 -6.396 -4.015 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.503 -6.535 -2.507 1.00 0.00 C ATOM 0 H VAL A 79 -2.468 -8.809 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.377 -8.674 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.554 -7.179 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.226 -5.366 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.995 -6.850 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.150 -6.409 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.244 -5.506 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.162 -6.544 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.595 -7.093 -2.279 1.00 0.00 H new